5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione

C12H8ClFN2O3 — CID 80642905

IUPAC5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cccc(Cl)c2F)c1=O
InChIInChI=1S/C12H8ClFN2O3/c1-6(17)7-5-15-12(19)16(11(7)18)9-4-2-3-8(13)10(9)14/h2-5H,1H3,(H,15,19)
InChIKeyBUHSSZXWEZRWAP-UHFFFAOYSA-N
MW282.66 g/mol
LogP1.52
Rot. Bonds2

About 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 80642905) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID80642905
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cccc(Cl)c2F)c1=O
InChIInChI=1S/C12H8ClFN2O3/c1-6(17)7-5-15-12(19)16(11(7)18)9-4-2-3-8(13)10(9)14/h2-5H,1H3,(H,15,19)
InChIKeyBUHSSZXWEZRWAP-UHFFFAOYSA-N
XLogP1.52
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione (CID 80642905) is 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(-c2cccc(Cl)c2F)c1=O.
What is the InChIKey of 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is BUHSSZXWEZRWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c1-6(17)7-5-15-12(19)16(11(7)18)9-4-2-3-8(13)10(9)14/h2-5H,1H3,(H,15,19).
What are the key properties of 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 282.66 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(3-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).